Related papers: Single-molecule junctions map the interplay betwee…
Chirality is a fundamental property of electrons with the relativistic spectrum found in graphene and topological insulators. It plays a crucial role in relativistic phenomena, such as Klein tunneling, but it is difficult to visualize…
We explore the role of molecular vibrations in the chirality-induced spin selectivity (CISS) effect in the context of charge transport through a molecular nanojunction. We employ a mixed quantum-classical approach that combines Ehrenfest…
In recent years inelastic spin-flip spectroscopy using a lowtemperature scanning tunneling microscope has been a very successful tool for studying not only individual spins but also complex coupled systems. When these systems interact with…
The exchange interaction between electrons and magnetic spins is considerably enhanced near interfaces, in magnetic multilayers. As a result, a dc current can be used to generate spin oscillations. We review theory and experimental…
We investigate the effects of spin-momentum locking on the interference and diffraction patterns due to a double- or single-slit in an electronic \emph{Gedankenexperiment}. We show that the inclusion of the spin-degree-of-freedom, when…
Recent experiments on electron scattering through molecular films have shown that chiral molecules can be efficient sources of polarized electrons even in the absence of heavy nuclei as source of a strong spin-orbit interaction. We show…
Dream of developing molecule-based logic and memory device is more than 70-year-old. Presently, molecule-based devices are also considered for quantum computation hardware. The recent studies have shown the molecule connected to metal leads…
Recently there has been much interest in the chirality induced spin selectivity effect, whereby electron spin polarisation, which is dependent on the molecular chirality, is produced in electrode-molecule electron transfer processes.…
Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to…
This thesis investigates the mechanically controlled break junctions, with a particular emphasis on elucidating the behaviour of molecular currents at room temperature. The core of this experimental investigation involves a detailed…
Single-molecule transistors provide a unique experimental tool to investigate the coupling between charge transport and the molecular degrees of freedom in individual molecules. One interesting class of molecules for such experiments are…
Chirality-induced spin selectivity has been reported in many experiments, but a generally accepted theoretical explanation has not yet been proposed. Here, we introduce a simple model system of a straight cylindrical free-electron wire,…
Polyalanine molecules (PA) with an {\alpha}-helix conformation gathered recently a lot of interest as the propagation of electrons through the chiral backbone structure comes along with spin polarization of the transmitted electrons. By…
We determine the contributions from the direct Coulomb and exchange interactions to the total interaction in semiconductor artificial atoms. We tune the relative strengths of the two interactions and measure them as a function of the number…
Generating efficient and highly spin-polarized currents through nanoscale junctions is essential in the field of nanoelectronics and spintronics. In this paper, using $ab$ $initio$ electron transport calculations, we predict highly…
The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the…
Chiral molecular structures enable time-odd pseudotensor that controls correlations between photoelectron spin and molecular orientation in photoionization (arXiv:2505.22433). We show that chiral structures also support time-even…
We study the effective chiral interaction between molecules arising from quantum dispersion interactions within a model in which a) the dominant excited states of a molecule form a band whose width is small compared to the average…
Recent years have shown steady progress in research towards molecular electronics [1,2], where molecules have been investigated as switches [3-5], diodes [6], and electronic mixers [7]. In much of the previous work a Scanning Tunnelling…
The coupling of charge carrier motion and pseudospin via chirality for massless Dirac fermions in monolayer graphene has generated dramatic consequences, such as the unusual quantum Hall effect and Klein tunneling. In bilayer graphene,…